N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine

C12H16BrN3OS — CID 107965637

IUPACN-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2csc(Br)c2)o1
InChIInChI=1S/C12H16BrN3OS/c1-12(2,3)14-5-4-10-15-16-11(17-10)8-6-9(13)18-7-8/h6-7,14H,4-5H2,1-3H3
InChIKeyQWLKMPYNYHIIMQ-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.49
Rot. Bonds4

About N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 107965637) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID107965637
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC NameN-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2csc(Br)c2)o1
InChIInChI=1S/C12H16BrN3OS/c1-12(2,3)14-5-4-10-15-16-11(17-10)8-6-9(13)18-7-8/h6-7,14H,4-5H2,1-3H3
InChIKeyQWLKMPYNYHIIMQ-UHFFFAOYSA-N
XLogP3.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107965633
3-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 114021771
N-[2-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62163649
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62162780
N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 106689625
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62162598
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107966719
N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106959491
N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 107993073

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 107965637) is N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nnc(-c2csc(Br)c2)o1.
What is the InChIKey of N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is QWLKMPYNYHIIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c1-12(2,3)14-5-4-10-15-16-11(17-10)8-6-9(13)18-7-8/h6-7,14H,4-5H2,1-3H3.
What are the key properties of N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 330.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107965637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).